tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate

C15H22N4O2 — CID 71985351

IUPACtert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNc1ccc(C#N)cn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N4O2/c1-14(2,3)21-13(20)19-15(4,5)10-18-12-7-6-11(8-16)9-17-12/h6-7,9H,10H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyZOVOEOPJQWKBLA-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.67
Rot. Bonds4

About tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate (PubChem CID 71985351) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate
PubChem CID71985351
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Nametert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNc1ccc(C#N)cn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N4O2/c1-14(2,3)21-13(20)19-15(4,5)10-18-12-7-6-11(8-16)9-17-12/h6-7,9H,10H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyZOVOEOPJQWKBLA-UHFFFAOYSA-N
XLogP2.67
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S,4R)-4-[[(5-cyano-2-pyridinyl)amino]methyl]cyclopent-2-en-1-yl]carbamate
CID 69483781
2-[[(5-cyano-2-pyridinyl)amino]methyl]-2-ethylbutanoic acid
CID 113308560
6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile
CID 114384453
tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate
CID 58464113
tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate
CID 60502996
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile
CID 24699115
tert-butyl (2S)-2-[[(5-cyano-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 91203490
tert-butyl N-(5-prop-1-ynyl-2-pyridinyl)carbamate
CID 174419990
6-[[(2S)-2-hydroxy-3,3-dimethylbutyl]amino]pyridine-3-carbonitrile
CID 95623512
methyl (2S)-4-(5-cyano-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 134373211
tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
CID 50986487
4-[[(5-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 24705789

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate (CID 71985351) is tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate is CC(C)(CNc1ccc(C#N)cn1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate?
The InChIKey is ZOVOEOPJQWKBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-14(2,3)21-13(20)19-15(4,5)10-18-12-7-6-11(8-16)9-17-12/h6-7,9H,10H2,1-5H3,(H,17,18)(H,19,20).
What are the key properties of tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate has a molecular weight of 290.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 71985351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).